Geometry & MOs

Info

ID:	199800
PubChem CID:	79297722
Reduced:	N5C14H23 (1)
Stoich.:	A5B14C23 (1)
Weight, g/mol:	280.167459
ΔH_f, kcal/mol:	50.14
Dipole, Da:	4.77
IP(EA), eV:	-8.45(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(4-ethoxyphenyl)-2-ethyl-2-hydroxybutanoate

Drug info:

PubChemData

Smile

CCC1CCC(C1C)N2C3=C(C(=NN3C)C)N=C2N

DOS

IR

Vibrations